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Compound Detail

CHEMBL5188372

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CN(C(=O)Cn1nc2c(c1C(F)(F)F)C(=O)NCC2)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5188372
Phase Preclinical
Structure Type MOL
InChI Key YTKUGIDWRNFGJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
1.85
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15F3N4O2
MW 352.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.41

Pharmacokinetic Data

Parameter Value Units Species
CL 18.0 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
36126059 10.1021/acs.jmedchem.2c00998 DNA polymerase theta 1
36126059 10.1021/acs.jmedchem.2c00998 ADMET 1

Data from ChEMBL 36 via Core Engine